2-(7-methoxy-8-methyl-4-propan-2-yloxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole

C19H23N3O2S — CID 58213304

IUPAC2-(7-methoxy-8-methyl-4-propan-2-yloxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole
SMILESCOc1ccc2c(OC(C)C)nc(-c3nc(C(C)C)cs3)nc2c1C
InChIInChI=1S/C19H23N3O2S/c1-10(2)14-9-25-19(20-14)17-21-16-12(5)15(23-6)8-7-13(16)18(22-17)24-11(3)4/h7-11H,1-6H3
InChIKeyNUXJPXPYUKWYLQ-UHFFFAOYSA-N
MW357.48 g/mol
LogP4.98
Rot. Bonds5

About 2-(7-methoxy-8-methyl-4-propan-2-yloxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole

2-(7-methoxy-8-methyl-4-propan-2-yloxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole (PubChem CID 58213304) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-(7-methoxy-8-methyl-4-propan-2-yloxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(7-methoxy-8-methyl-4-propan-2-yloxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole
PubChem CID58213304
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name2-(7-methoxy-8-methyl-4-propan-2-yloxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole
SMILESCOc1ccc2c(OC(C)C)nc(-c3nc(C(C)C)cs3)nc2c1C
InChIInChI=1S/C19H23N3O2S/c1-10(2)14-9-25-19(20-14)17-21-16-12(5)15(23-6)8-7-13(16)18(22-17)24-11(3)4/h7-11H,1-6H3
InChIKeyNUXJPXPYUKWYLQ-UHFFFAOYSA-N
XLogP4.98
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-8-methyl-4-propan-2-yloxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(7-methoxy-8-methyl-4-propan-2-yloxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole (CID 58213304) is 2-(7-methoxy-8-methyl-4-propan-2-yloxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(7-methoxy-8-methyl-4-propan-2-yloxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(7-methoxy-8-methyl-4-propan-2-yloxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole is COc1ccc2c(OC(C)C)nc(-c3nc(C(C)C)cs3)nc2c1C.
What is the InChIKey of 2-(7-methoxy-8-methyl-4-propan-2-yloxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole?
The InChIKey is NUXJPXPYUKWYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-10(2)14-9-25-19(20-14)17-21-16-12(5)15(23-6)8-7-13(16)18(22-17)24-11(3)4/h7-11H,1-6H3.
What are the key properties of 2-(7-methoxy-8-methyl-4-propan-2-yloxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole?
2-(7-methoxy-8-methyl-4-propan-2-yloxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole has a molecular weight of 357.48 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-8-methyl-4-propan-2-yloxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 58213304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).